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27431-39-6,MFCD04038084
Catalog No.:AA003JKP

27431-39-6 | 3-Methoxybutyl 2-mercaptoacetate

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Purity
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Price(USD)
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5g
97% GC
in stock  
$16.00   $11.00
- +
25g
>97.0%(GC)(T)
in stock  
$36.00   $25.00
- +
500g
>97.0%(GC)(T)
in stock  
$164.00   $115.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JKP
Chemical Name:
3-Methoxybutyl 2-mercaptoacetate
CAS Number:
27431-39-6
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
MDL Number:
MFCD04038084
SMILES:
CC(OC)CCOC(=O)CS
Properties
Properties
 
BP:
252.034°C at 760 mmHg  
Form:
Liquid  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
116  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route
27431-39-6    359865-01-3   
3-methoxybutyl2-((4-oxo-4-((1RS,2SR)-2,6,6-trimethylcvclohex-3-en-1-yl)butan-2-yl)thio)acetate 

[1]CurrentPatentAssignee:FirmenichInternationalSA-WO2013/139766,2013,A1Locationinpatent:Page/Pagecolumn20-21

27431-39-6   
(+/-)-(E)-1-((1RS,2SR)-2,6,6-trimethylcyclohex-3-enyl)but-2-en-1-one 
 
3-methoxybutyl(±)-({4-oxo-4-(1RS,2SR)-2,6,6-trimethylcyclohex-3-en-1-ylbutan-2-yl}sulfanyl)acetate 

[1]Maddalena,Umberto;Trachsel,Alain;Fankhauser,Peter;Berthier,DamienL.;Benczdi,Daniel;Wang,Wei;Xi,Xiujuan;Shen,Youqing;Herrmann,Andreas[Chemistryandbiodiversity,2014,vol.11,#11,p.1700-1733]

622-97-9    27431-39-6   
3-methoxybutyl4-(p-tolyl)butanoate 

[1]Qin,Qixue;Wang,Weijing;Zhang,Cheng;Song,Song;Jiao,Ning[ChemicalCommunications,2019,vol.55,#71,p.10583-10586]

116-14-3    27431-39-6   
3-methoxybutyl2-(1,1,2,2-tetrafluoroethyl)thioacetate 

[1]Sunagawa,DeniseE.;Ishida,Naoyoshi;Iwamoto,Hiroaki;Ohashi,Masato;Fruit,Corinne;Ogoshi,Sensuke[JournalofOrganicChemistry,2021,vol.86,#8,p.6015-6024]

Literature
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SDS
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